SCHEMBL17899439

SCHEMBL17899439

C[C@@H]1CN(C(=O)c2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(S(N)(=O)=O)cc3)s2)C[C@H](C)O1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.46
PTGS1 P23219 7/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15269073 1.00 PTGS2 (0.46) PTGS2PTGS1HPGDKDM4EMEN1
SCHEMBL15269021 0.92 PTGS2 (0.46) PTGS2PTGS1HPGDKDM4EMEN1
SCHEMBL17899437 0.92 PTGS2 (0.46) PTGS2PTGS1HPGDKDM4EMEN1
SCHEMBL17899432 0.91 HPGD (0.49) PTGS2PTGS1HPGDKDM4EMEN1
SCHEMBL15269269 0.91 HPGD (0.49) PTGS2PTGS1HPGDKDM4EMEN1
SCHEMBL15269439 0.91 NPC1 (0.47) PTGS2PTGS1HPGDKDM4EMEN1
SCHEMBL17899425 0.91 NPC1 (0.47) PTGS2PTGS1HPGDKDM4EMEN1
SCHEMBL15269065 0.91 PTGS2 (0.54) PTGS2PTGS1HPGDKDM4EMEN1
SCHEMBL17899445 0.91 PTGS2 (0.54) PTGS2PTGS1HPGDKDM4EMEN1
SCHEMBL17899435 0.90 PTGS2 (0.42) PTGS2PTGS1HPGDKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388196-B2 Thiazole derivatives as alpha 7 nAChR modulators LUPIN LIMITED (IN) 2016-07-12 US claimed